SCHEMBL6406561

SCHEMBL6406561

Cc1c(C(C)C)ccc(Br)c1N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19998489 0.81 LMNA (0.38) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL27251482 0.77 POLB (0.52) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL17344748 0.74 GABRA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL12533397 0.74 TRPA1 (0.33) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL28455887 0.74 POLB (0.36) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL6406061 0.74 LMNA (0.36) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL17914480 0.73 LMNA (0.35) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL11128206 0.72 POLB (0.44) LMNAPOLBGAA
SCHEMBL11421517 0.71 GABRA1 (0.44) LMNASLC6A2HTR2BGABRA1GABRB1
SCHEMBL17345135 0.71 GAA (0.46) LMNAADRA1APOLBGAAGFER

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US disclosed
EP-1362038-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-19 EP disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 US disclosed
WO-2002064570-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA TRPA1 4823/4885LMNA 3937/4885CHRM1 3605/4885
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, ADRB2, REN TRPA1 4264/4885LMNA 2452/4885CHRM1 55/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R TRPA1 4240/4885LMNA 2420/4885CHRM1 34/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.